1-(1H-indol-3-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1H-indol-3-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)ethanone CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-1-(1H-indol-3-yl)ethanone IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)ethanone Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)ethanone Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CNC3=CC=CC=C32)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CNC3=CC=CC=C32)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2/c25-20(18-14-22-19-9-5-4-8-17(18)19)15-23-10-12-24(13-11-23)21(26)16-6-2-1-3-7-16/h1-9,14,22H,10-13,15H2/p+1